NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
430204 | 2jnt | 6943 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2jnt save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 177 _TA_constraint_stats_list.Viol_count 253 _TA_constraint_stats_list.Viol_total 3097.59 _TA_constraint_stats_list.Viol_max 4.63 _TA_constraint_stats_list.Viol_rms 0.59 _TA_constraint_stats_list.Viol_average_all_restraints 0.18 _TA_constraint_stats_list.Viol_average_violations_only 1.22 _TA_constraint_stats_list.Cutoff_violation_report 5.00 _TA_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * ID of the restraint list. * 3 * Number of restraints in list. * 4 * Number of violated restraints (each model violation is used). * 5 * Sum of violations in degrees. * 6 * Maximum violation of a restraint without averaging in any way. * 7 * Rms of violations over all restraints. * 8 * Average violation over all restraints. * 9 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. Threshold for reporting violations (degrees) in the last columns of the next table. * 10 * This tag. Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. * 2 * Torsion angle name where available. * 3 * First atom's: * 4 * Chain identifier (can be absent if none defined) * 5 * Residue number * 6 * Residue name * 7 * Name of (pseudo-)atom * 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18. * 19 * Lower bound (degrees) * 20 * Upper bound (degrees) * 21 * Average angle in ensemble of models * 22 * Minimum angle in ensemble of models (counter clockwise from range) * 23 * Maximum angle in ensemble of models (clockwise from range) * 24 * Maximum violation (without any averaging) * 25 * Model number with the maximum violation * 26 * Number of models with a violation above cutoff * 27 * List of models with a violation above cutoff. See description above. * 28 * Administrative tag * 29 * Administrative tag ; loop_ _TA_constraint_stats.Restraint_ID _TA_constraint_stats.Torsion_angle_name _TA_constraint_stats.Entity_assembly_ID_1 _TA_constraint_stats.Comp_index_ID_1 _TA_constraint_stats.Comp_ID_1 _TA_constraint_stats.Atom_ID_1 _TA_constraint_stats.Entity_assembly_ID_2 _TA_constraint_stats.Comp_index_ID_2 _TA_constraint_stats.Comp_ID_2 _TA_constraint_stats.Atom_ID_2 _TA_constraint_stats.Entity_assembly_ID_3 _TA_constraint_stats.Comp_index_ID_3 _TA_constraint_stats.Comp_ID_3 _TA_constraint_stats.Atom_ID_3 _TA_constraint_stats.Entity_assembly_ID_4 _TA_constraint_stats.Comp_index_ID_4 _TA_constraint_stats.Comp_ID_4 _TA_constraint_stats.Atom_ID_4 _TA_constraint_stats.Angle_lower_bound_val _TA_constraint_stats.Angle_upper_bound_val _TA_constraint_stats.Angle_average _TA_constraint_stats.Angle_minimum _TA_constraint_stats.Angle_maximum _TA_constraint_stats.Max_violation _TA_constraint_stats.Max_violation_model_number _TA_constraint_stats.Over_cutoff_violation_count _TA_constraint_stats.Over_cutoff_violation_per_model 1 . 1 7 LYS C 1 8 ILE N 1 8 ILE CA 1 8 ILE C -180.00 20.00 -79.70 -92.32 -59.16 . . 0 "[ . 1]" 2 . 1 9 ASN C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -126.00 -46.00 -71.74 -69.15 -128.70 3.46 1 0 "[ . 1]" 3 . 1 10 LEU C 1 11 GLN N 1 11 GLN CA 1 11 GLN C -90.32 -28.48 -83.25 -77.44 -78.35 1.19 3 0 "[ . 1]" 4 . 1 11 GLN C 1 12 GLU N 1 12 GLU CA 1 12 GLU C -79.27 -49.27 -72.44 -77.01 -79.79 0.87 9 0 "[ . 1]" 5 . 1 12 GLU C 1 13 ILE N 1 13 ILE CA 1 13 ILE C -105.38 -30.62 -82.38 -89.29 -105.73 1.29 1 0 "[ . 1]" 6 . 1 13 ILE C 1 14 LEU N 1 14 LEU CA 1 14 LEU C -94.84 -43.72 -52.96 -48.05 -54.40 . . 0 "[ . 1]" 7 . 1 14 LEU C 1 15 GLU N 1 15 GLU CA 1 15 GLU C -132.72 -42.36 -67.62 -76.22 -56.87 . . 0 "[ . 1]" 8 . 1 15 GLU C 1 16 ASN N 1 16 ASN CA 1 16 ASN C -166.71 -44.79 -137.47 -141.41 -145.69 . . 0 "[ . 1]" 9 . 1 16 ASN C 1 17 LYS N 1 17 LYS CA 1 17 LYS C -71.44 -41.44 -55.40 -67.30 -41.18 0.26 5 0 "[ . 1]" 10 . 1 17 LYS C 1 18 ARG N 1 18 ARG CA 1 18 ARG C -78.94 -48.94 -67.84 -71.73 -72.51 . . 0 "[ . 1]" 11 . 1 18 ARG C 1 19 LEU N 1 19 LEU CA 1 19 LEU C -80.79 -50.79 -77.53 -75.33 -75.46 . . 0 "[ . 1]" 12 . 1 19 LEU C 1 20 LEU N 1 20 LEU CA 1 20 LEU C -75.72 -45.72 -61.89 -65.53 -55.33 . . 0 "[ . 1]" 13 . 1 20 LEU C 1 21 GLU N 1 21 GLU CA 1 21 GLU C -75.30 -45.30 -56.84 -62.02 -54.83 . . 0 "[ . 1]" 14 . 1 21 GLU C 1 22 SER N 1 22 SER CA 1 22 SER C -91.43 -42.55 -67.57 -73.18 -64.47 . . 0 "[ . 1]" 15 . 1 22 SER C 1 23 TYR N 1 23 TYR CA 1 23 TYR C -131.24 -24.80 -95.07 -85.99 -88.23 . . 0 "[ . 1]" 16 . 1 23 TYR C 1 24 MET N 1 24 MET CA 1 24 MET C -74.81 -44.81 -59.55 -61.86 -64.72 . . 0 "[ . 1]" 17 . 1 24 MET C 1 25 ASP N 1 25 ASP CA 1 25 ASP C -79.42 -49.42 -60.06 -62.58 -65.25 . . 0 "[ . 1]" 18 . 1 25 ASP C 1 26 CYS N 1 26 CYS CA 1 26 CYS C -79.42 -49.42 -74.94 -79.91 -68.01 0.49 8 0 "[ . 1]" 19 . 1 26 CYS C 1 27 VAL N 1 27 VAL CA 1 27 VAL C -79.39 -49.39 -81.30 -82.38 -79.86 2.99 7 0 "[ . 1]" 20 . 1 27 VAL C 1 28 LEU N 1 28 LEU CA 1 28 LEU C -101.20 -55.36 -104.74 -105.83 -103.63 4.63 9 0 "[ . 1]" 21 . 1 28 LEU C 1 29 GLY N 1 29 GLY CA 1 29 GLY C 38.13 124.13 110.19 103.90 100.07 . . 0 "[ . 1]" 22 . 1 31 GLY C 1 32 LYS N 1 32 LYS CA 1 32 LYS C -173.25 -17.05 -148.48 -162.21 -132.94 . . 0 "[ . 1]" 23 . 1 32 LYS C 1 33 CYS N 1 33 CYS CA 1 33 CYS C 167.54 -59.02 -121.68 -133.27 -177.48 . . 0 "[ . 1]" 24 . 1 33 CYS C 1 34 THR N 1 34 THR CA 1 34 THR C -106.88 -56.04 -96.26 -95.48 -107.01 2.66 1 0 "[ . 1]" 25 . 1 34 THR C 1 35 PRO N 1 35 PRO CA 1 35 PRO C -72.00 -42.00 -50.73 -56.99 -41.16 0.84 6 0 "[ . 1]" 26 . 1 35 PRO C 1 36 GLU N 1 36 GLU CA 1 36 GLU C -78.37 -48.37 -59.22 -70.47 -50.94 . . 0 "[ . 1]" 27 . 1 36 GLU C 1 37 GLY N 1 37 GLY CA 1 37 GLY C -80.68 -50.68 -66.46 -63.24 -63.55 . . 0 "[ . 1]" 28 . 1 37 GLY C 1 38 LYS N 1 38 LYS CA 1 38 LYS C -78.26 -48.26 -57.82 -54.59 -62.04 . . 0 "[ . 1]" 29 . 1 38 LYS C 1 39 GLU N 1 39 GLU CA 1 39 GLU C -80.41 -50.41 -77.75 -72.00 -72.99 0.20 8 0 "[ . 1]" 30 . 1 39 GLU C 1 40 LEU N 1 40 LEU CA 1 40 LEU C -78.63 -48.63 -62.94 -52.60 -64.47 . . 0 "[ . 1]" 31 . 1 40 LEU C 1 41 LYS N 1 41 LYS CA 1 41 LYS C -74.55 -44.55 -74.01 -75.56 -67.22 1.01 7 0 "[ . 1]" 32 . 1 41 LYS C 1 42 ASP N 1 42 ASP CA 1 42 ASP C -75.91 -45.91 -58.29 -61.99 -50.82 . . 0 "[ . 1]" 33 . 1 42 ASP C 1 43 HIS N 1 43 HIS CA 1 43 HIS C -78.73 -48.73 -76.32 -80.45 -63.75 1.72 8 0 "[ . 1]" 34 . 1 43 HIS C 1 44 LEU N 1 44 LEU CA 1 44 LEU C -77.56 -47.56 -74.64 -72.61 -75.55 0.51 8 0 "[ . 1]" 35 . 1 44 LEU C 1 45 GLN N 1 45 GLN CA 1 45 GLN C -77.68 -47.68 -67.96 -71.51 -63.51 . . 0 "[ . 1]" 36 . 1 45 GLN C 1 46 GLU N 1 46 GLU CA 1 46 GLU C -79.69 -49.69 -63.99 -71.27 -54.87 . . 0 "[ . 1]" 37 . 1 46 GLU C 1 47 ALA N 1 47 ALA CA 1 47 ALA C -81.44 -49.32 -60.92 -61.28 -63.01 . . 0 "[ . 1]" 38 . 1 47 ALA C 1 48 LEU N 1 48 LEU CA 1 48 LEU C -110.18 -50.86 -60.08 -60.81 -61.05 0.06 10 0 "[ . 1]" 39 . 1 52 CYS C 1 53 GLU N 1 53 GLU CA 1 53 GLU C -95.43 -33.91 -73.55 -91.45 -57.71 . . 0 "[ . 1]" 40 . 1 53 GLU C 1 54 LYS N 1 54 LYS CA 1 54 LYS C -104.02 -67.78 -83.95 -76.74 -84.98 0.58 2 0 "[ . 1]" 41 . 1 55 CYS C 1 56 THR N 1 56 THR CA 1 56 THR C -96.28 -55.32 -92.48 -97.35 -69.25 1.07 6 0 "[ . 1]" 42 . 1 56 THR C 1 57 GLU N 1 57 GLU CA 1 57 GLU C -79.08 -37.96 -55.10 -63.26 -72.16 . . 0 "[ . 1]" 43 . 1 57 GLU C 1 58 ALA N 1 58 ALA CA 1 58 ALA C -77.21 -47.21 -64.40 -62.72 -63.93 . . 0 "[ . 1]" 44 . 1 58 ALA C 1 59 GLN N 1 59 GLN CA 1 59 GLN C -80.74 -50.74 -74.27 -81.45 -66.10 0.71 7 0 "[ . 1]" 45 . 1 59 GLN C 1 60 GLU N 1 60 GLU CA 1 60 GLU C -83.77 -53.77 -61.31 -56.35 -61.11 0.21 2 0 "[ . 1]" 46 . 1 60 GLU C 1 61 LYS N 1 61 LYS CA 1 61 LYS C -76.86 -46.86 -68.96 -77.06 -59.07 0.20 7 0 "[ . 1]" 47 . 1 61 LYS C 1 62 GLY N 1 62 GLY CA 1 62 GLY C -83.45 -53.45 -67.74 -71.55 -76.45 . . 0 "[ . 1]" 48 . 1 62 GLY C 1 63 ALA N 1 63 ALA CA 1 63 ALA C -81.21 -51.21 -61.52 -69.10 -54.87 . . 0 "[ . 1]" 49 . 1 63 ALA C 1 64 GLU N 1 64 GLU CA 1 64 GLU C -78.88 -47.28 -59.82 -73.40 -49.82 . . 0 "[ . 1]" 50 . 1 64 GLU C 1 65 THR N 1 65 THR CA 1 65 THR C -80.30 -49.78 -68.09 -74.86 -58.31 . . 0 "[ . 1]" 51 . 1 65 THR C 1 66 SER N 1 66 SER CA 1 66 SER C -82.05 -52.05 -67.11 -63.67 -67.26 . . 0 "[ . 1]" 52 . 1 66 SER C 1 67 ILE N 1 67 ILE CA 1 67 ILE C -79.15 -49.15 -62.67 -60.82 -61.29 . . 0 "[ . 1]" 53 . 1 67 ILE C 1 68 ASP N 1 68 ASP CA 1 68 ASP C -75.68 -45.68 -57.47 -58.55 -62.44 . . 0 "[ . 1]" 54 . 1 68 ASP C 1 69 TYR N 1 69 TYR CA 1 69 TYR C -79.10 -49.10 -78.10 -80.32 -75.07 1.22 2 0 "[ . 1]" 55 . 1 69 TYR C 1 70 LEU N 1 70 LEU CA 1 70 LEU C -84.45 -49.13 -63.30 -64.31 -66.28 . . 0 "[ . 1]" 56 . 1 70 LEU C 1 71 ILE N 1 71 ILE CA 1 71 ILE C -83.92 -46.24 -67.39 -67.81 -69.63 . . 0 "[ . 1]" 57 . 1 71 ILE C 1 72 LYS N 1 72 LYS CA 1 72 LYS C -114.86 -14.74 -83.45 -90.06 -90.48 . . 0 "[ . 1]" 58 . 1 72 LYS C 1 73 ASN N 1 73 ASN CA 1 73 ASN C -152.55 -46.11 -126.02 -136.41 -139.80 . . 0 "[ . 1]" 59 . 1 74 GLU C 1 75 LEU N 1 75 LEU CA 1 75 LEU C -86.20 -36.80 -66.70 -63.94 -65.86 . . 0 "[ . 1]" 60 . 1 75 LEU C 1 76 GLU N 1 76 GLU CA 1 76 GLU C -77.57 -47.57 -67.06 -65.13 -69.24 . . 0 "[ . 1]" 61 . 1 76 GLU C 1 77 ILE N 1 77 ILE CA 1 77 ILE C -82.20 -52.20 -69.39 -75.57 -64.31 . . 0 "[ . 1]" 62 . 1 77 ILE C 1 78 TRP N 1 78 TRP CA 1 78 TRP C -75.87 -45.87 -60.20 -63.77 -53.27 . . 0 "[ . 1]" 63 . 1 78 TRP C 1 79 LYS N 1 79 LYS CA 1 79 LYS C -79.81 -49.81 -57.60 -58.90 -61.04 . . 0 "[ . 1]" 64 . 1 79 LYS C 1 80 GLU N 1 80 GLU CA 1 80 GLU C -80.89 -50.89 -69.52 -77.22 -65.46 . . 0 "[ . 1]" 65 . 1 80 GLU C 1 81 LEU N 1 81 LEU CA 1 81 LEU C -79.21 -49.21 -68.58 -76.61 -63.04 . . 0 "[ . 1]" 66 . 1 81 LEU C 1 82 THR N 1 82 THR CA 1 82 THR C -83.57 -52.61 -62.13 -71.15 -53.21 . . 0 "[ . 1]" 67 . 1 82 THR C 1 83 ALA N 1 83 ALA CA 1 83 ALA C -77.67 -47.67 -64.09 -68.82 -58.55 . . 0 "[ . 1]" 68 . 1 83 ALA C 1 84 HIS N 1 84 HIS CA 1 84 HIS C -107.25 -57.01 -79.02 -65.64 -69.71 . . 0 "[ . 1]" 69 . 1 84 HIS C 1 85 PHE N 1 85 PHE CA 1 85 PHE C -161.00 -33.08 -97.92 -110.75 -78.82 . . 0 "[ . 1]" 70 . 1 86 ASP C 1 87 PRO N 1 87 PRO CA 1 87 PRO C -74.84 -44.84 -74.27 -78.85 -68.75 4.01 10 0 "[ . 1]" 71 . 1 87 PRO C 1 88 ASP N 1 88 ASP CA 1 88 ASP C -109.30 -73.94 -91.13 -108.28 -79.59 . . 0 "[ . 1]" 72 . 1 89 GLY C 1 90 LYS N 1 90 LYS CA 1 90 LYS C -76.83 -46.83 -74.98 -69.32 -76.74 1.78 10 0 "[ . 1]" 73 . 1 91 TRP C 1 92 ARG N 1 92 ARG CA 1 92 ARG C -72.57 -42.57 -59.87 -55.01 -58.05 . . 0 "[ . 1]" 74 . 1 92 ARG C 1 93 LYS N 1 93 LYS CA 1 93 LYS C -77.84 -47.84 -66.23 -70.18 -74.58 0.76 1 0 "[ . 1]" 75 . 1 93 LYS C 1 94 LYS N 1 94 LYS CA 1 94 LYS C -79.42 -49.42 -68.57 -68.83 -79.05 0.07 5 0 "[ . 1]" 76 . 1 94 LYS C 1 95 TYR N 1 95 TYR CA 1 95 TYR C -80.13 -50.13 -60.67 -56.88 -59.57 . . 0 "[ . 1]" 77 . 1 95 TYR C 1 96 GLU N 1 96 GLU CA 1 96 GLU C -81.61 -51.61 -63.53 -71.67 -52.65 . . 0 "[ . 1]" 78 . 1 96 GLU C 1 97 ASP N 1 97 ASP CA 1 97 ASP C -82.13 -52.13 -59.18 -72.66 -51.94 0.19 9 0 "[ . 1]" 79 . 1 97 ASP C 1 98 ARG N 1 98 ARG CA 1 98 ARG C -83.09 -53.09 -67.38 -79.01 -58.38 . . 0 "[ . 1]" 80 . 1 98 ARG C 1 99 ALA N 1 99 ALA CA 1 99 ALA C -85.46 -51.58 -66.61 -70.60 -73.78 0.13 6 0 "[ . 1]" 81 . 1 99 ALA C 1 100 LYS N 1 100 LYS CA 1 100 LYS C -96.25 -37.05 -69.97 -76.83 -80.71 . . 0 "[ . 1]" 82 . 1 100 LYS C 1 101 ALA N 1 101 ALA CA 1 101 ALA C -86.73 -46.49 -72.07 -76.60 -85.53 . . 0 "[ . 1]" 83 . 1 101 ALA C 1 102 LYS N 1 102 LYS CA 1 102 LYS C -124.27 -39.43 -87.48 -100.40 -66.77 . . 0 "[ . 1]" 84 . 1 102 LYS C 1 103 GLY N 1 103 GLY CA 1 103 GLY C 32.50 144.06 105.61 109.24 105.68 . . 0 "[ . 1]" 85 . 1 103 GLY C 1 104 ILE N 1 104 ILE CA 1 104 ILE C -177.37 -18.13 -89.29 -112.91 -73.48 . . 0 "[ . 1]" 86 . 1 104 ILE C 1 105 VAL N 1 105 VAL CA 1 105 VAL C -133.66 -56.54 -82.04 -96.44 -67.84 . . 0 "[ . 1]" 87 . 1 105 VAL C 1 106 ILE N 1 106 ILE CA 1 106 ILE C -139.27 -62.79 -131.68 -140.14 -113.65 0.87 9 0 "[ . 1]" 88 . 1 106 ILE C 1 107 PRO N 1 107 PRO CA 1 107 PRO C -97.36 -31.20 -66.45 -70.84 -87.73 . . 0 "[ . 1]" 89 . 1 8 ILE N 1 8 ILE CA 1 8 ILE C 1 9 ASN N 42.63 -115.69 46.60 44.22 42.40 2.85 3 0 "[ . 1]" 90 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 GLN N -75.01 8.35 -47.39 -60.66 -64.40 . . 0 "[ . 1]" 91 . 1 11 GLN N 1 11 GLN CA 1 11 GLN C 1 12 GLU N -58.78 -27.86 -27.25 -26.13 -26.75 2.91 2 0 "[ . 1]" 92 . 1 12 GLU N 1 12 GLU CA 1 12 GLU C 1 13 ILE N -64.51 -7.59 -28.10 -48.17 -7.22 0.37 1 0 "[ . 1]" 93 . 1 13 ILE N 1 13 ILE CA 1 13 ILE C 1 14 LEU N -65.51 -19.91 -54.46 -66.49 -47.61 0.98 4 0 "[ . 1]" 94 . 1 14 LEU N 1 14 LEU CA 1 14 LEU C 1 15 GLU N -48.89 -18.13 -27.47 -34.55 -18.00 0.13 6 0 "[ . 1]" 95 . 1 15 GLU N 1 15 GLU CA 1 15 GLU C 1 16 ASN N -66.73 22.11 -21.29 -18.91 -22.76 . . 0 "[ . 1]" 96 . 1 16 ASN N 1 16 ASN CA 1 16 ASN C 1 17 LYS N 88.82 148.74 122.95 116.71 132.20 . . 0 "[ . 1]" 97 . 1 17 LYS N 1 17 LYS CA 1 17 LYS C 1 18 ARG N -65.31 -14.95 -32.36 -39.14 -21.59 . . 0 "[ . 1]" 98 . 1 18 ARG N 1 18 ARG CA 1 18 ARG C 1 19 LEU N -51.71 -21.71 -34.08 -34.56 -34.74 . . 0 "[ . 1]" 99 . 1 19 LEU N 1 19 LEU CA 1 19 LEU C 1 20 LEU N -55.09 -25.09 -26.70 -30.26 -24.59 0.50 9 0 "[ . 1]" 100 . 1 20 LEU N 1 20 LEU CA 1 20 LEU C 1 21 GLU N -57.06 -27.06 -44.80 -44.73 -45.01 . . 0 "[ . 1]" 101 . 1 21 GLU N 1 21 GLU CA 1 21 GLU C 1 22 SER N -56.96 -26.96 -32.01 -35.59 -26.54 0.42 7 0 "[ . 1]" 102 . 1 22 SER N 1 22 SER CA 1 22 SER C 1 23 TYR N -66.85 -7.93 -48.75 -61.45 -35.88 . . 0 "[ . 1]" 103 . 1 23 TYR N 1 23 TYR CA 1 23 TYR C 1 24 MET N -115.79 57.77 13.75 9.79 18.69 . . 0 "[ . 1]" 104 . 1 24 MET N 1 24 MET CA 1 24 MET C 1 25 ASP N -56.73 -23.25 -21.14 -20.38 -20.95 3.25 9 0 "[ . 1]" 105 . 1 25 ASP N 1 25 ASP CA 1 25 ASP C 1 26 CYS N -54.81 -24.81 -45.47 -55.12 -30.15 0.31 7 0 "[ . 1]" 106 . 1 26 CYS N 1 26 CYS CA 1 26 CYS C 1 27 VAL N -58.31 -28.31 -34.35 -31.96 -41.49 1.30 2 0 "[ . 1]" 107 . 1 27 VAL N 1 27 VAL CA 1 27 VAL C 1 28 LEU N -52.43 -6.11 -55.58 -56.65 -54.44 4.22 9 0 "[ . 1]" 108 . 1 28 LEU N 1 28 LEU CA 1 28 LEU C 1 29 GLY N -32.98 22.98 -34.32 -35.34 -33.12 2.36 8 0 "[ . 1]" 109 . 1 29 GLY N 1 29 GLY CA 1 29 GLY C 1 30 LYS N -61.60 86.64 48.09 29.90 87.25 0.61 6 0 "[ . 1]" 110 . 1 32 LYS N 1 32 LYS CA 1 32 LYS C 1 33 CYS N 83.91 -170.45 114.89 94.56 148.51 . . 0 "[ . 1]" 111 . 1 33 CYS N 1 33 CYS CA 1 33 CYS C 1 34 THR N 122.49 -171.75 174.06 171.27 164.77 . . 0 "[ . 1]" 112 . 1 34 THR N 1 34 THR CA 1 34 THR C 1 35 PRO N 121.89 -166.79 155.42 153.57 144.53 . . 0 "[ . 1]" 113 . 1 35 PRO N 1 35 PRO CA 1 35 PRO C 1 36 GLU N -61.69 -12.09 -45.70 -45.37 -51.21 0.13 6 0 "[ . 1]" 114 . 1 36 GLU N 1 36 GLU CA 1 36 GLU C 1 37 GLY N -61.80 -25.80 -41.51 -37.54 -38.86 . . 0 "[ . 1]" 115 . 1 37 GLY N 1 37 GLY CA 1 37 GLY C 1 38 LYS N -52.59 -22.59 -40.36 -38.23 -39.24 . . 0 "[ . 1]" 116 . 1 38 LYS N 1 38 LYS CA 1 38 LYS C 1 39 GLU N -56.36 -25.68 -40.61 -56.36 -26.33 . . 0 "[ . 1]" 117 . 1 39 GLU N 1 39 GLU CA 1 39 GLU C 1 40 LEU N -52.77 -22.77 -42.24 -51.75 -25.93 . . 0 "[ . 1]" 118 . 1 40 LEU N 1 40 LEU CA 1 40 LEU C 1 41 LYS N -54.68 -24.68 -45.30 -56.73 -34.37 2.05 2 0 "[ . 1]" 119 . 1 41 LYS N 1 41 LYS CA 1 41 LYS C 1 42 ASP N -67.92 -21.12 -31.93 -32.24 -36.28 . . 0 "[ . 1]" 120 . 1 42 ASP N 1 42 ASP CA 1 42 ASP C 1 43 HIS N -54.61 -24.61 -49.47 -48.30 -50.87 0.48 3 0 "[ . 1]" 121 . 1 43 HIS N 1 43 HIS CA 1 43 HIS C 1 44 LEU N -57.25 -27.25 -35.84 -50.48 -26.78 0.47 3 0 "[ . 1]" 122 . 1 44 LEU N 1 44 LEU CA 1 44 LEU C 1 45 GLN N -54.67 -24.67 -49.28 -50.15 -53.10 0.13 9 0 "[ . 1]" 123 . 1 45 GLN N 1 45 GLN CA 1 45 GLN C 1 46 GLU N -56.11 -26.11 -24.73 -25.70 -22.40 3.71 6 0 "[ . 1]" 124 . 1 46 GLU N 1 46 GLU CA 1 46 GLU C 1 47 ALA N -58.48 -12.84 -43.04 -41.00 -42.78 . . 0 "[ . 1]" 125 . 1 47 ALA N 1 47 ALA CA 1 47 ALA C 1 48 LEU N -68.17 4.23 -28.36 -37.29 -19.80 . . 0 "[ . 1]" 126 . 1 48 LEU N 1 48 LEU CA 1 48 LEU C 1 49 GLU N -56.58 -3.30 -43.68 -37.78 -42.90 0.67 4 0 "[ . 1]" 127 . 1 53 GLU N 1 53 GLU CA 1 53 GLU C 1 54 LYS N -63.65 21.87 -38.20 -62.41 -11.03 . . 0 "[ . 1]" 128 . 1 54 LYS N 1 54 LYS CA 1 54 LYS C 1 55 CYS N -19.00 18.76 16.01 3.29 20.01 1.25 9 0 "[ . 1]" 129 . 1 56 THR N 1 56 THR CA 1 56 THR C 1 57 GLU N 146.07 -175.69 166.33 150.20 179.83 . . 0 "[ . 1]" 130 . 1 57 GLU N 1 57 GLU CA 1 57 GLU C 1 58 ALA N -63.67 -11.43 -43.15 -32.58 -36.16 . . 0 "[ . 1]" 131 . 1 58 ALA N 1 58 ALA CA 1 58 ALA C 1 59 GLN N -57.24 -25.72 -39.58 -35.30 -37.14 . . 0 "[ . 1]" 132 . 1 59 GLN N 1 59 GLN CA 1 59 GLN C 1 60 GLU N -56.79 -26.79 -44.31 -52.48 -37.94 . . 0 "[ . 1]" 133 . 1 60 GLU N 1 60 GLU CA 1 60 GLU C 1 61 LYS N -56.36 -26.36 -47.90 -58.10 -37.06 1.74 9 0 "[ . 1]" 134 . 1 61 LYS N 1 61 LYS CA 1 61 LYS C 1 62 GLY N -58.11 -28.11 -35.87 -34.62 -36.66 0.17 7 0 "[ . 1]" 135 . 1 62 GLY N 1 62 GLY CA 1 62 GLY C 1 63 ALA N -61.70 -14.10 -38.16 -46.23 -28.79 . . 0 "[ . 1]" 136 . 1 63 ALA N 1 63 ALA CA 1 63 ALA C 1 64 GLU N -58.52 -21.28 -49.85 -53.00 -53.08 0.49 8 0 "[ . 1]" 137 . 1 64 GLU N 1 64 GLU CA 1 64 GLU C 1 65 THR N -69.45 -19.37 -40.32 -35.44 -47.58 . . 0 "[ . 1]" 138 . 1 65 THR N 1 65 THR CA 1 65 THR C 1 66 SER N -57.56 -12.72 -45.24 -43.39 -45.38 1.41 6 0 "[ . 1]" 139 . 1 66 SER N 1 66 SER CA 1 66 SER C 1 67 ILE N -54.81 -24.81 -41.09 -51.99 -34.84 . . 0 "[ . 1]" 140 . 1 67 ILE N 1 67 ILE CA 1 67 ILE C 1 68 ASP N -60.60 -30.60 -41.21 -46.39 -35.73 . . 0 "[ . 1]" 141 . 1 68 ASP N 1 68 ASP CA 1 68 ASP C 1 69 TYR N -56.31 -26.31 -58.65 -59.41 -58.04 3.10 2 0 "[ . 1]" 142 . 1 69 TYR N 1 69 TYR CA 1 69 TYR C 1 70 LEU N -57.15 -26.87 -31.85 -41.46 -26.32 0.55 6 0 "[ . 1]" 143 . 1 70 LEU N 1 70 LEU CA 1 70 LEU C 1 71 ILE N -56.77 -18.37 -48.82 -43.17 -45.44 . . 0 "[ . 1]" 144 . 1 71 ILE N 1 71 ILE CA 1 71 ILE C 1 72 LYS N -65.97 -27.05 -34.82 -39.59 -27.07 . . 0 "[ . 1]" 145 . 1 72 LYS N 1 72 LYS CA 1 72 LYS C 1 73 ASN N -74.40 6.76 -16.78 6.48 -4.18 . . 0 "[ . 1]" 146 . 1 73 ASN N 1 73 ASN CA 1 73 ASN C 1 74 GLU N -55.96 32.36 -52.57 -58.51 -31.84 2.55 10 0 "[ . 1]" 147 . 1 75 LEU N 1 75 LEU CA 1 75 LEU C 1 76 GLU N -62.70 -11.02 -22.83 -29.55 -34.45 0.89 4 0 "[ . 1]" 148 . 1 76 GLU N 1 76 GLU CA 1 76 GLU C 1 77 ILE N -55.09 -25.09 -33.77 -40.38 -24.60 0.49 6 0 "[ . 1]" 149 . 1 77 ILE N 1 77 ILE CA 1 77 ILE C 1 78 TRP N -55.88 -25.88 -34.54 -35.19 -38.93 0.26 7 0 "[ . 1]" 150 . 1 78 TRP N 1 78 TRP CA 1 78 TRP C 1 79 LYS N -55.84 -25.84 -44.80 -46.63 -46.84 . . 0 "[ . 1]" 151 . 1 79 LYS N 1 79 LYS CA 1 79 LYS C 1 80 GLU N -53.68 -23.68 -39.52 -30.92 -32.11 . . 0 "[ . 1]" 152 . 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 LEU N -63.08 -24.52 -39.26 -30.90 -36.56 . . 0 "[ . 1]" 153 . 1 81 LEU N 1 81 LEU CA 1 81 LEU C 1 82 THR N -59.64 -29.64 -38.84 -34.06 -38.81 0.90 6 0 "[ . 1]" 154 . 1 82 THR N 1 82 THR CA 1 82 THR C 1 83 ALA N -56.63 -23.99 -42.91 -48.20 -50.97 . . 0 "[ . 1]" 155 . 1 83 ALA N 1 83 ALA CA 1 83 ALA C 1 84 HIS N -54.32 -24.32 -26.69 -33.72 -23.67 0.65 8 0 "[ . 1]" 156 . 1 84 HIS N 1 84 HIS CA 1 84 HIS C 1 85 PHE N -60.33 -1.81 -38.69 -52.42 -17.93 . . 0 "[ . 1]" 157 . 1 85 PHE N 1 85 PHE CA 1 85 PHE C 1 86 ASP N -81.62 36.10 -61.62 -55.86 -64.90 0.60 10 0 "[ . 1]" 158 . 1 86 ASP N 1 86 ASP CA 1 86 ASP C 1 87 PRO N 6.67 -152.93 83.78 86.50 86.49 . . 0 "[ . 1]" 159 . 1 87 PRO N 1 87 PRO CA 1 87 PRO C 1 88 ASP N -38.48 -4.80 -16.67 -39.16 -3.12 1.68 5 0 "[ . 1]" 160 . 1 88 ASP N 1 88 ASP CA 1 88 ASP C 1 89 GLY N -20.02 28.42 -8.52 23.20 0.37 2.06 3 0 "[ . 1]" 161 . 1 90 LYS N 1 90 LYS CA 1 90 LYS C 1 91 TRP N -72.59 -4.39 -31.21 -31.16 -50.61 0.76 10 0 "[ . 1]" 162 . 1 92 ARG N 1 92 ARG CA 1 92 ARG C 1 93 LYS N -54.91 -24.91 -38.41 -52.27 -28.81 . . 0 "[ . 1]" 163 . 1 93 LYS N 1 93 LYS CA 1 93 LYS C 1 94 LYS N -55.74 -25.74 -36.60 -55.96 -25.10 0.64 7 0 "[ . 1]" 164 . 1 94 LYS N 1 94 LYS CA 1 94 LYS C 1 95 TYR N -55.53 -25.53 -40.38 -49.28 -32.91 . . 0 "[ . 1]" 165 . 1 95 TYR N 1 95 TYR CA 1 95 TYR C 1 96 GLU N -55.22 -25.22 -49.08 -44.68 -45.77 1.07 3 0 "[ . 1]" 166 . 1 96 GLU N 1 96 GLU CA 1 96 GLU C 1 97 ASP N -53.15 -23.15 -46.21 -44.72 -50.50 0.86 10 0 "[ . 1]" 167 . 1 97 ASP N 1 97 ASP CA 1 97 ASP C 1 98 ARG N -53.81 -23.81 -53.29 -55.53 -48.95 1.72 2 0 "[ . 1]" 168 . 1 98 ARG N 1 98 ARG CA 1 98 ARG C 1 99 ALA N -52.96 -22.96 -43.20 -51.74 -30.44 . . 0 "[ . 1]" 169 . 1 99 ALA N 1 99 ALA CA 1 99 ALA C 1 100 LYS N -56.16 -26.16 -50.75 -54.34 -56.33 0.17 1 0 "[ . 1]" 170 . 1 100 LYS N 1 100 LYS CA 1 100 LYS C 1 101 ALA N -63.59 -12.91 -28.69 -42.42 -12.76 0.15 1 0 "[ . 1]" 171 . 1 101 ALA N 1 101 ALA CA 1 101 ALA C 1 102 LYS N -61.33 9.23 -31.42 -46.41 -12.08 . . 0 "[ . 1]" 172 . 1 102 LYS N 1 102 LYS CA 1 102 LYS C 1 103 GLY N -49.24 34.36 -20.54 -45.03 7.26 . . 0 "[ . 1]" 173 . 1 103 GLY N 1 103 GLY CA 1 103 GLY C 1 104 ILE N -55.11 60.57 27.79 26.64 24.63 . . 0 "[ . 1]" 174 . 1 104 ILE N 1 104 ILE CA 1 104 ILE C 1 105 VAL N 95.79 170.31 124.55 112.23 135.58 . . 0 "[ . 1]" 175 . 1 105 VAL N 1 105 VAL CA 1 105 VAL C 1 106 ILE N 100.69 160.17 111.69 118.18 106.85 1.67 6 0 "[ . 1]" 176 . 1 106 ILE N 1 106 ILE CA 1 106 ILE C 1 107 PRO N 90.16 -177.20 157.03 162.62 158.27 . . 0 "[ . 1]" 177 . 1 107 PRO N 1 107 PRO CA 1 107 PRO C 1 108 GLU N 107.70 167.62 115.54 106.06 145.01 1.64 8 0 "[ . 1]" stop_ save_
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